2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate

C16H18O4 — CID 70124649

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=Cc1ccccc1
InChIInChI=1S/C16H18O4/c1-12(2)15(17)19-9-10-20-16(18)13(3)11-14-7-5-4-6-8-14/h4-8,11H,1,9-10H2,2-3H3
InChIKeyRKJFCFKCAXSOOR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.75
Rot. Bonds6

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate

2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate (PubChem CID 70124649) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
PubChem CID70124649
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=Cc1ccccc1
InChIInChI=1S/C16H18O4/c1-12(2)15(17)19-9-10-20-16(18)13(3)11-14-7-5-4-6-8-14/h4-8,11H,1,9-10H2,2-3H3
InChIKeyRKJFCFKCAXSOOR-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate
CID 175381325
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
1-phenylbut-1-en-2-yl 2-methylprop-2-enoate
CID 175009492
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate
CID 102298814
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate (CID 70124649) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)C(C)=Cc1ccccc1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate?
The InChIKey is RKJFCFKCAXSOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-12(2)15(17)19-9-10-20-16(18)13(3)11-14-7-5-4-6-8-14/h4-8,11H,1,9-10H2,2-3H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate?
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate is sourced from PubChem (CID 70124649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).